4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine

C12H23F2NO — CID 134274365

IUPAC4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine
SMILESCC(C)(C)CCN1CCC(OC(F)F)CC1
InChIInChI=1S/C12H23F2NO/c1-12(2,3)6-9-15-7-4-10(5-8-15)16-11(13)14/h10-11H,4-9H2,1-3H3
InChIKeyIWXSXFAENBTPGX-UHFFFAOYSA-N
MW235.32 g/mol
LogP3.13
Rot. Bonds4

About 4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine

4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine (PubChem CID 134274365) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine
PubChem CID134274365
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine
SMILESCC(C)(C)CCN1CCC(OC(F)F)CC1
InChIInChI=1S/C12H23F2NO/c1-12(2,3)6-9-15-7-4-10(5-8-15)16-11(13)14/h10-11H,4-9H2,1-3H3
InChIKeyIWXSXFAENBTPGX-UHFFFAOYSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine?
The IUPAC name of 4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine (CID 134274365) is 4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine.
What is the SMILES notation for 4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine?
The canonical SMILES for 4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine is CC(C)(C)CCN1CCC(OC(F)F)CC1.
What is the InChIKey of 4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine?
The InChIKey is IWXSXFAENBTPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-12(2,3)6-9-15-7-4-10(5-8-15)16-11(13)14/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine?
4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine has a molecular weight of 235.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-(3,3-dimethylbutyl)piperidine is sourced from PubChem (CID 134274365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).